Geometry & MOs

Info

ID:	81081
PubChem CID:	49854327
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	4.79
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3,4-tetrahydroquinolin-2-yl)-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CCC2=CC=CC=C21)C3=NC4=C(C=CC=C4N3)C(=O)N

DOS

IR

Vibrations